CID 177843219

4-decyn-1-ol, 1-acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCCC#CCCCOC(=O)C
InChI
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-6,9-11H2,1-2H3
InChIKey
VYUBPDZXMBELNW-UHFFFAOYSA-N
Compound name
dec-4-ynyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 144.3
[M+Na]+ 219.135548 152.1
[M-H]- 195.139054 143.5
[M+NH4]+ 214.180153 162.1
[M+K]+ 235.109488 150.0
[M+H-H2O]+ 179.143590 133.2
[M+HCOO]- 241.144531 160.8
[M+CH3COO]- 255.160181 193.2
[M+Na-2H]- 217.120996 147.0
[M]+ 196.14578142 143.1
[M]- 196.14687858 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.